SCHEMBL216368

SCHEMBL216368

CC1=C(c2ccccc2)[CH]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
ACHE P22303 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HPGD P15428 3/20 0.33
CYP2A6 P11509 2/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2965878 0.89 MEN1 (0.37) ALDH1A1TSHRLMNAALOX12ACHE
SCHEMBL2857565 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRLMNAACHE
SCHEMBL2964255 0.75 ACHE (0.38) ALDH1A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL2960805 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAACHEHPGD
SCHEMBL2965426 0.74 CYP2A6 (0.43) ALDH1A1HSD17B10TSHRLMNAACHE
SCHEMBL7923402 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDCYP2A6BCL2L1
SCHEMBL217176 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10PDCD1CD274HPGD
SCHEMBL8524145 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDCYP2A6BCL2L1
SCHEMBL2964933 0.74 FABP4 (0.35) TSHRLMNAALOX12ACHECYP2A6
SCHEMBL2963120 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 177 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 US claimed
WO-2013033018-A2 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION DREXEL UNIVERSITY (US) 2013-03-07 WO claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US claimed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US claimed
EP-1737893-A1 PHOSPHORUS BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-01-03 EP claimed
EP-1737875-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-01-03 EP claimed
WO-2005108435-A1 PHOSPHORUS BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO claimed
WO-2005108410-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO claimed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
EP-0991675-A4 ETHYLENE ENHANCEMENT OF PROCESSES FOR SYNTHESIS OF HIGH MELTING THERMOPLASTIC ELASTOMERIC ALPHA-OLEFIN POLYMERS (PRE/EPE EFFECTS) UNIV LELAND STANFORD JUNIOR (US) 2002-07-03 EP claimed
EP-0991675-A1 ETHYLENE ENHANCEMENT OF PROCESSES FOR SYNTHESIS OF HIGH MELTING THERMOPLASTIC ELASTOMERIC $g(a)-OLEFIN POLYMERS (PRE/EPE EFFECTS) THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-04-12 EP claimed
WO-1998057996-A1 ETHYLENE ENHANCEMENT OF PROCESSES FOR SYNTHESIS OF HIGH MELTING THERMOPLASTIC ELASTOMERIC α-OLEFIN POLYMERS (PRE/EPE EFFECTS) THE BOARD OF TRUSTEES OF THE LELAND STANFORD, JR. UNIVERSITY (US) 1998-12-23 WO claimed
US-10421921-B2 Lubricants from mixed alpha-olefin feeds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-09-24 US disclosed
EP-2752401-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-10-10 EP disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
EP-0749988-A2 Process for the preparation of cycloolefin copolymers HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 EP disclosed
EP-0749985-A2 Stereo rigid metallocene compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL ALDH1A1 4206/4885HSD17B10 4696/4885TSHR 3182/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 ALDH1A1 4248/4885HSD17B10 3454/4885TSHR 2600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.